(2,4,6-trimethylphenyl)methyl 12-[(2S)-2-methoxy-3-oxidanyl-propoxy]dodecanoate

Systemtic Name: (2,4,6-trimethylphenyl)methyl 12-[(2S)-2-methoxy-3-oxidanyl-propoxy]dodecanoate Openeye Name: (2,4,6-trimethylphenyl)methyl 12-[(2S)-3-hydroxy-2-methoxy-propoxy]dodecanoate CAS Name: 12-[(2S)-3-hydroxy-2-methoxypropoxy]dodecanoic acid (2,4,6-trimethylphenyl)methyl ester IUPAC Name: (2,4,6-trimethylphenyl)methyl 12-[(2S)-3-hydroxy-2-methoxypropoxy]dodecanoate Traditional Name: 12-[(2S)-3-hydroxy-2-methoxy-propoxy]lauric acid (2,4,6-trimethylbenzyl) ester Formula: C26H44O5 MolecularWeight: 436.62456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)COC(=O)CCCCCCCCCCCOCC(CO)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)COC(=O)CCCCCCCCCCCOC[C@H](CO)OC)C

InChI

InChI=1S/C26H44O5/c1-21-16-22(2)25(23(3)17-21)20-31-26(28)14-12-10-8-6-5-7-9-11-13-15-30-19-24(18-27)29-4/h16-17,24,27H,5-15,18-20H2,1-4H3/t24-/m0/s1